[chloranyl-[3-(4-fluoranylbutyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate

Systemtic Name: [chloranyl-[3-(4-fluoranylbutyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate Openeye Name: [chloro-[3-(4-fluorobutyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate CAS Name: benzenesulfonic acid [chloro-[3-(4-fluorobutyl)-2-oxiranyl]-phenoxymethyl] ester IUPAC Name: [chloro-[3-(4-fluorobutyl)oxiran-2-yl]-phenoxymethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [chloro-[3-(4-fluorobutyl)oxiran-2-yl]-phenoxy-methyl] ester Formula: C19H20ClFO5S MolecularWeight: 414.875503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C2C(O2)CCCCF)(OS(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC(C2C(O2)CCCCF)(OS(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClFO5S/c20-19(25-15-9-3-1-4-10-15,18-17(24-18)13-7-8-14-21)26-27(22,23)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2